%chk=000245642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245642

0 1
S -0.624480 1.799087 -1.158691
O -3.532466 0.687822 0.028561
O -1.815334 0.448950 1.489610
O -1.811194 -3.443601 -0.741354
N -0.699207 -1.530185 -0.199689
N 4.695464 0.481292 1.142324
C -1.760284 -0.660946 -0.734067
C -1.248598 0.241631 -1.855622
C -2.301260 0.216745 0.409105
C 0.941401 1.375297 -0.494347
C -0.837090 -2.927621 -0.222178
C 2.048273 1.248237 -1.339772
C 1.075343 1.249020 0.893121
C 3.447997 0.841786 0.598122
C 3.304325 0.979167 -0.802903
C 2.324622 0.983786 1.446206
C 0.295483 -3.680192 0.410806
C -4.205527 1.589225 0.949516
H -2.604909 -1.313883 -1.121985
H -0.485963 -0.268428 -2.472595
H -2.077723 0.522205 -2.539687
H 0.082282 -1.068020 0.264133
H 1.935090 1.361791 -2.420003
H 0.197460 1.350505 1.546993
H 4.164768 0.871216 -1.456693
H 2.430669 0.882145 2.522823
H 0.145022 -4.764839 0.280361
H 1.269917 -3.432326 -0.031289
H 0.361857 -3.492581 1.491989
H -4.179797 1.181264 1.965351
H -5.222902 1.626885 0.546889
H -3.710048 2.564209 0.906357
H 5.515471 0.656680 0.581679
H 4.843036 0.660576 2.124127


%chk=000245642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245642

0 1
S -0.637120 1.842266 -1.277460
O -3.825124 0.740615 -0.015299
O -2.289735 0.396355 1.703397
O -0.654627 -2.943618 -1.508684
N -0.840820 -1.347232 0.160199
N 4.703432 0.101342 1.085615
C -1.942739 -0.656228 -0.510287
C -1.488527 0.202644 -1.724068
C -2.674124 0.197446 0.527301
C 0.968804 1.274325 -0.567927
C -0.249947 -2.461948 -0.401959
C 1.994768 0.769224 -1.401369
C 1.206196 1.397047 0.822299
C 3.477556 0.488588 0.543234
C 3.230927 0.370139 -0.857155
C 2.444863 1.014369 1.375215
C 0.908154 -3.066270 0.382700
C -4.580125 1.670623 0.862699
H -2.638708 -1.419416 -0.913791
H -0.818090 -0.398735 -2.356863
H -2.368360 0.515449 -2.310133
H -0.509779 -0.948933 1.042575
H 1.827182 0.691192 -2.481245
H 0.414680 1.786963 1.471580
H 4.014847 -0.021365 -1.517057
H 2.615642 1.122596 2.453459
H 1.819758 -3.025451 -0.238314
H 1.108632 -2.547214 1.335289
H 0.692493 -4.129462 0.585031
H -4.893987 1.152596 1.783967
H -5.447027 1.978198 0.262378
H -3.946601 2.534731 1.122442
H 5.446701 -0.254491 0.491962
H 4.892501 0.210555 2.077467


